4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one

C32H38N6O4 — CID 156828803

IUPAC4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)C2)cn2nc(-c3cc4cccc(OCC5CNC(=O)C5)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C32H38N6O4/c1-19-29(35-38-16-23(13-27(41-2)30(19)38)32(40)36-10-4-6-24(33)17-36)25-12-22-5-3-7-26(31(22)37(25)15-20-8-9-20)42-18-21-11-28(39)34-14-21/h3,5,7,12-13,16,20-21,24H,4,6,8-11,14-15,17-18,33H2,1-2H3,(H,34,39)/t21?,24-/m1/s1
InChIKeyRMDZEYGVJXVEHQ-MQNHUJCZSA-N
MW570.69 g/mol
LogP3.76
Rot. Bonds8

About 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one

4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 156828803) has the molecular formula C32H38N6O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one
PubChem CID156828803
Molecular FormulaC32H38N6O4
Molecular Weight570.69 g/mol
Exact Mass570.30
IUPAC Name4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(C(=O)N2CCC[C@@H](N)C2)cn2nc(-c3cc4cccc(OCC5CNC(=O)C5)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C32H38N6O4/c1-19-29(35-38-16-23(13-27(41-2)30(19)38)32(40)36-10-4-6-24(33)17-36)25-12-22-5-3-7-26(31(22)37(25)15-20-8-9-20)42-18-21-11-28(39)34-14-21/h3,5,7,12-13,16,20-21,24H,4,6,8-11,14-15,17-18,33H2,1-2H3,(H,34,39)/t21?,24-/m1/s1
InChIKeyRMDZEYGVJXVEHQ-MQNHUJCZSA-N
XLogP3.76
TPSA116.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.69
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one (CID 156828803) is 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one is COc1cc(C(=O)N2CCC[C@@H](N)C2)cn2nc(-c3cc4cccc(OCC5CNC(=O)C5)c4n3CC3CC3)c(C)c12.
What is the InChIKey of 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is RMDZEYGVJXVEHQ-MQNHUJCZSA-N. The full InChI is InChI=1S/C32H38N6O4/c1-19-29(35-38-16-23(13-27(41-2)30(19)38)32(40)36-10-4-6-24(33)17-36)25-12-22-5-3-7-26(31(22)37(25)15-20-8-9-20)42-18-21-11-28(39)34-14-21/h3,5,7,12-13,16,20-21,24H,4,6,8-11,14-15,17-18,33H2,1-2H3,(H,34,39)/t21?,24-/m1/s1.
What are the key properties of 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?
4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 570.69 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 156828803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).