[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C31H35FN8O2 — CID 156828744

IUPAC[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3cccc(OCCn4cc(N)cn4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C31H35FN8O2/c1-19-26-8-7-22(31(41)37-16-23(32)12-24(33)17-37)15-40(26)36-29(19)27-11-21-3-2-4-28(30(21)39(27)14-20-5-6-20)42-10-9-38-18-25(34)13-35-38/h2-4,7-8,11,13,15,18,20,23-24H,5-6,9-10,12,14,16-17,33-34H2,1H3/t23-,24-/m1/s1
InChIKeyIIWCKVZWLWDNIR-DNQXCXABSA-N
MW570.67 g/mol
LogP4.04
Rot. Bonds8

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156828744) has the molecular formula C31H35FN8O2 and a molecular weight of 570.67 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
PubChem CID156828744
Molecular FormulaC31H35FN8O2
Molecular Weight570.67 g/mol
Exact Mass570.29
IUPAC Name[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
SMILESCc1c(-c2cc3cccc(OCCn4cc(N)cn4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C31H35FN8O2/c1-19-26-8-7-22(31(41)37-16-23(32)12-24(33)17-37)15-40(26)36-29(19)27-11-21-3-2-4-28(30(21)39(27)14-20-5-6-20)42-10-9-38-18-25(34)13-35-38/h2-4,7-8,11,13,15,18,20,23-24H,5-6,9-10,12,14,16-17,33-34H2,1H3/t23-,24-/m1/s1
InChIKeyIIWCKVZWLWDNIR-DNQXCXABSA-N
XLogP4.04
TPSA121.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.67
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156828744) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.
What is the SMILES notation for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The canonical SMILES for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is Cc1c(-c2cc3cccc(OCCn4cc(N)cn4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
The InChIKey is IIWCKVZWLWDNIR-DNQXCXABSA-N. The full InChI is InChI=1S/C31H35FN8O2/c1-19-26-8-7-22(31(41)37-16-23(32)12-24(33)17-37)15-40(26)36-29(19)27-11-21-3-2-4-28(30(21)39(27)14-20-5-6-20)42-10-9-38-18-25(34)13-35-38/h2-4,7-8,11,13,15,18,20,23-24H,5-6,9-10,12,14,16-17,33-34H2,1H3/t23-,24-/m1/s1.
What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?
[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 570.67 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[7-[2-(4-aminopyrazol-1-yl)ethoxy]-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156828744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).