[(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone

C27H32N10O2 — CID 138601341

IUPAC[(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESC=NCc1cnn2cc(-c3cnn(C)c3)cc(-c3cnc(N4CCN(C(=O)N5CC[C@H](OC)C5)CC4)nc3)c12
InChIInChI=1S/C27H32N10O2/c1-28-11-21-14-32-37-17-19(22-15-31-33(2)16-22)10-24(25(21)37)20-12-29-26(30-13-20)34-6-8-35(9-7-34)27(38)36-5-4-23(18-36)39-3/h10,12-17,23H,1,4-9,11,18H2,2-3H3/t23-/m0/s1
InChIKeyGDTBCZJJSMGPLU-QHCPKHFHSA-N
MW528.62 g/mol
LogP2.36
Rot. Bonds6

About [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone

[(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 138601341) has the molecular formula C27H32N10O2 and a molecular weight of 528.62 g/mol. Its IUPAC name is [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID138601341
Molecular FormulaC27H32N10O2
Molecular Weight528.62 g/mol
Exact Mass528.27
IUPAC Name[(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESC=NCc1cnn2cc(-c3cnn(C)c3)cc(-c3cnc(N4CCN(C(=O)N5CC[C@H](OC)C5)CC4)nc3)c12
InChIInChI=1S/C27H32N10O2/c1-28-11-21-14-32-37-17-19(22-15-31-33(2)16-22)10-24(25(21)37)20-12-29-26(30-13-20)34-6-8-35(9-7-34)27(38)36-5-4-23(18-36)39-3/h10,12-17,23H,1,4-9,11,18H2,2-3H3/t23-/m0/s1
InChIKeyGDTBCZJJSMGPLU-QHCPKHFHSA-N
XLogP2.36
TPSA109.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone (CID 138601341) is [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone is C=NCc1cnn2cc(-c3cnn(C)c3)cc(-c3cnc(N4CCN(C(=O)N5CC[C@H](OC)C5)CC4)nc3)c12.
What is the InChIKey of [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is GDTBCZJJSMGPLU-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H32N10O2/c1-28-11-21-14-32-37-17-19(22-15-31-33(2)16-22)10-24(25(21)37)20-12-29-26(30-13-20)34-6-8-35(9-7-34)27(38)36-5-4-23(18-36)39-3/h10,12-17,23H,1,4-9,11,18H2,2-3H3/t23-/m0/s1.
What are the key properties of [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone?
[(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 528.62 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxypyrrolidin-1-yl]-[4-[5-[3-[(methylideneamino)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 138601341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).