2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H32N10O2 — CID 146528516

IUPAC2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C[C@H](C)O)c5)cn5nc(N)c(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C30H32N10O2/c1-20(41)16-39-18-24(15-35-39)23-11-25(29-26(12-31)30(32)36-40(29)19-23)22-4-5-27(33-14-22)38-9-7-37(8-10-38)17-21-3-6-28(42-2)34-13-21/h3-6,11,13-15,18-20,41H,7-10,16-17H2,1-2H3,(H2,32,36)/t20-/m0/s1
InChIKeyFHOSHTTVYLJKRV-FQEVSTJZSA-N
MW564.65 g/mol
LogP2.82
Rot. Bonds8

About 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146528516) has the molecular formula C30H32N10O2 and a molecular weight of 564.65 g/mol. Its IUPAC name is 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146528516
Molecular FormulaC30H32N10O2
Molecular Weight564.65 g/mol
Exact Mass564.27
IUPAC Name2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C[C@H](C)O)c5)cn5nc(N)c(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C30H32N10O2/c1-20(41)16-39-18-24(15-35-39)23-11-25(29-26(12-31)30(32)36-40(29)19-23)22-4-5-27(33-14-22)38-9-7-37(8-10-38)17-21-3-6-28(42-2)34-13-21/h3-6,11,13-15,18-20,41H,7-10,16-17H2,1-2H3,(H2,32,36)/t20-/m0/s1
InChIKeyFHOSHTTVYLJKRV-FQEVSTJZSA-N
XLogP2.82
TPSA146.65 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146528516) is 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C[C@H](C)O)c5)cn5nc(N)c(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FHOSHTTVYLJKRV-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H32N10O2/c1-20(41)16-39-18-24(15-35-39)23-11-25(29-26(12-31)30(32)36-40(29)19-23)22-4-5-27(33-14-22)38-9-7-37(8-10-38)17-21-3-6-28(42-2)34-13-21/h3-6,11,13-15,18-20,41H,7-10,16-17H2,1-2H3,(H2,32,36)/t20-/m0/s1.
What are the key properties of 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 564.65 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146528516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).