4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide

C36H39FN6O3 — CID 156829247

IUPAC4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C36H39FN6O3/c1-21-33(39-43-18-27(15-32(46-4)34(21)43)36(45)41-19-28(37)16-29(38)20-41)31-14-26-12-11-25(13-30(26)42(31)17-22-5-6-22)23-7-9-24(10-8-23)35(44)40(2)3/h7-15,18,22,28-29H,5-6,16-17,19-20,38H2,1-4H3/t28-,29-/m1/s1
InChIKeyLWGPAUPNTXSILG-FQLXRVMXSA-N
MW622.75 g/mol
LogP5.56
Rot. Bonds7

About 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide

4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide (PubChem CID 156829247) has the molecular formula C36H39FN6O3 and a molecular weight of 622.75 g/mol. Its IUPAC name is 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide
PubChem CID156829247
Molecular FormulaC36H39FN6O3
Molecular Weight622.75 g/mol
Exact Mass622.31
IUPAC Name4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C36H39FN6O3/c1-21-33(39-43-18-27(15-32(46-4)34(21)43)36(45)41-19-28(37)16-29(38)20-41)31-14-26-12-11-25(13-30(26)42(31)17-22-5-6-22)23-7-9-24(10-8-23)35(44)40(2)3/h7-15,18,22,28-29H,5-6,16-17,19-20,38H2,1-4H3/t28-,29-/m1/s1
InChIKeyLWGPAUPNTXSILG-FQLXRVMXSA-N
XLogP5.56
TPSA98.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.75
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide (CID 156829247) is 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide?
The InChIKey is LWGPAUPNTXSILG-FQLXRVMXSA-N. The full InChI is InChI=1S/C36H39FN6O3/c1-21-33(39-43-18-27(15-32(46-4)34(21)43)36(45)41-19-28(37)16-29(38)20-41)31-14-26-12-11-25(13-30(26)42(31)17-22-5-6-22)23-7-9-24(10-8-23)35(44)40(2)3/h7-15,18,22,28-29H,5-6,16-17,19-20,38H2,1-4H3/t28-,29-/m1/s1.
What are the key properties of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide?
4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide has a molecular weight of 622.75 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 156829247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).