[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C35H36FN7O2 — CID 156829885

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc6c(cnn6C)c5)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C35H36FN7O2/c1-20-33(39-43-17-26(13-32(45-3)34(20)43)35(44)41-18-27(36)14-28(37)19-41)31-12-24-7-6-23(11-30(24)42(31)16-21-4-5-21)22-8-9-29-25(10-22)15-38-40(29)2/h6-13,15,17,21,27-28H,4-5,14,16,18-19,37H2,1-3H3/t27-,28-/m1/s1
InChIKeyVWBQVPRIEYUFIW-VSGBNLITSA-N
MW605.72 g/mol
LogP5.75
Rot. Bonds6

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829885) has the molecular formula C35H36FN7O2 and a molecular weight of 605.72 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156829885
Molecular FormulaC35H36FN7O2
Molecular Weight605.72 g/mol
Exact Mass605.29
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc6c(cnn6C)c5)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C35H36FN7O2/c1-20-33(39-43-17-26(13-32(45-3)34(20)43)35(44)41-18-27(36)14-28(37)19-41)31-12-24-7-6-23(11-30(24)42(31)16-21-4-5-21)22-8-9-29-25(10-22)15-38-40(29)2/h6-13,15,17,21,27-28H,4-5,14,16,18-19,37H2,1-3H3/t27-,28-/m1/s1
InChIKeyVWBQVPRIEYUFIW-VSGBNLITSA-N
XLogP5.75
TPSA95.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.72
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829885) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4ccc(-c5ccc6c(cnn6C)c5)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is VWBQVPRIEYUFIW-VSGBNLITSA-N. The full InChI is InChI=1S/C35H36FN7O2/c1-20-33(39-43-17-26(13-32(45-3)34(20)43)35(44)41-18-27(36)14-28(37)19-41)31-12-24-7-6-23(11-30(24)42(31)16-21-4-5-21)22-8-9-29-25(10-22)15-38-40(29)2/h6-13,15,17,21,27-28H,4-5,14,16,18-19,37H2,1-3H3/t27-,28-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 605.72 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(1-methylindazol-5-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).