tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid

C50H71FN8O8 — CID 175831818

IUPACtert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCNC1.COCC(=O)N1CCC(c2cc(F)cc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](NC(=O)OC(C)(C)C)C6)cc(OC)c5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C40H51FN6O6.C10H20N2O2/c1-24-35(43-47-21-28(18-33(52-6)36(24)47)38(49)45-13-7-8-30(22-45)42-39(50)53-40(2,3)4)32-17-27-16-29(41)19-31(37(27)46(32)20-25-9-10-25)26-11-14-44(15-12-26)34(48)23-51-5;1-10(2,3)12(9(13)14)8-5-4-6-11-7-8/h16-19,21,25-26,30H,7-15,20,22-23H2,1-6H3,(H,42,50);8,11H,4-7H2,1-3H3,(H,13,14)/t30-;8-/m11/s1
InChIKeyBSNANDCYKUOTTC-XDYPYLNDSA-N
MW931.16 g/mol
LogP7.82
Rot. Bonds10

About tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid

tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid (PubChem CID 175831818) has the molecular formula C50H71FN8O8 and a molecular weight of 931.16 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid
PubChem CID175831818
Molecular FormulaC50H71FN8O8
Molecular Weight931.16 g/mol
Exact Mass930.54
IUPAC Nametert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCNC1.COCC(=O)N1CCC(c2cc(F)cc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](NC(=O)OC(C)(C)C)C6)cc(OC)c5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C40H51FN6O6.C10H20N2O2/c1-24-35(43-47-21-28(18-33(52-6)36(24)47)38(49)45-13-7-8-30(22-45)42-39(50)53-40(2,3)4)32-17-27-16-29(41)19-31(37(27)46(32)20-25-9-10-25)26-11-14-44(15-12-26)34(48)23-51-5;1-10(2,3)12(9(13)14)8-5-4-6-11-7-8/h16-19,21,25-26,30H,7-15,20,22-23H2,1-6H3,(H,42,50);8,11H,4-7H2,1-3H3,(H,13,14)/t30-;8-/m11/s1
InChIKeyBSNANDCYKUOTTC-XDYPYLNDSA-N
XLogP7.82
TPSA172.21 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.16
LogP ≤ 57.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-[1-[2-[7-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate
CID 175355199
tert-butyl N-[(3R,5R)-1-[2-[6-acetyl-1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
CID 156829433
1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone
CID 166709749
tert-butyl N-[1-[2-[6-(cyclopropylmethyl)thieno[2,3-b]pyrrol-5-yl]-7-methoxy-1-methylindole-5-carbonyl]piperidin-3-yl]carbamate
CID 156697288
tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
CID 118178622
tert-butyl N-[(3R)-1-[2-[4-(cyclopropylmethyl)pyrrolo[2,3-d][1,3]thiazol-5-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
CID 156697304
tert-butyl-[(3R,5R)-1-[2-[6-chloro-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamic acid
CID 166709619
tert-butyl N-[1-[7-methoxy-2-[6-(2-methoxyethyl)thieno[2,3-b]pyrrol-5-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamate
CID 175104821
tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-phenylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
CID 138578763
tert-butyl N-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-phenylimidazo[1,2-a]pyridine-7-carbonyl]piperidin-3-yl]carbamate
CID 175023289
[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(3-hydroxycyclobutyl)methanone
CID 156829307
1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 156828898

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid?
The IUPAC name of tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid (CID 175831818) is tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid?
The canonical SMILES for tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CCCNC1.COCC(=O)N1CCC(c2cc(F)cc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](NC(=O)OC(C)(C)C)C6)cc(OC)c5c4C)n(CC4CC4)c23)CC1.
What is the InChIKey of tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid?
The InChIKey is BSNANDCYKUOTTC-XDYPYLNDSA-N. The full InChI is InChI=1S/C40H51FN6O6.C10H20N2O2/c1-24-35(43-47-21-28(18-33(52-6)36(24)47)38(49)45-13-7-8-30(22-45)42-39(50)53-40(2,3)4)32-17-27-16-29(41)19-31(37(27)46(32)20-25-9-10-25)26-11-14-44(15-12-26)34(48)23-51-5;1-10(2,3)12(9(13)14)8-5-4-6-11-7-8/h16-19,21,25-26,30H,7-15,20,22-23H2,1-6H3,(H,42,50);8,11H,4-7H2,1-3H3,(H,13,14)/t30-;8-/m11/s1.
What are the key properties of tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid?
tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid has a molecular weight of 931.16 g/mol, XLogP of 7.82, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[2-[1-(cyclopropylmethyl)-5-fluoro-7-[1-(2-methoxyacetyl)piperidin-4-yl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]piperidin-3-yl]carbamate;tert-butyl-[(3R)-piperidin-3-yl]carbamic acid is sourced from PubChem (CID 175831818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).