N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine

C23H27N9O2S — CID 137364176

IUPACN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine
SMILESCC(C)n1nc(N2CCCC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
InChIInChI=1S/C23H27N9O2S/c1-15(2)32-19-11-21(25-13-18(19)23(29-32)30-9-3-4-10-30)27-20-7-8-24-22(28-20)16-12-26-31(14-16)35(33,34)17-5-6-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,24,25,27,28)
InChIKeyPYJAUTXMZMYDEF-UHFFFAOYSA-N
MW493.60 g/mol
LogP3.35
Rot. Bonds7

About N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine

N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine (PubChem CID 137364176) has the molecular formula C23H27N9O2S and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine
PubChem CID137364176
Molecular FormulaC23H27N9O2S
Molecular Weight493.60 g/mol
Exact Mass493.20
IUPAC NameN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine
SMILESCC(C)n1nc(N2CCCC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
InChIInChI=1S/C23H27N9O2S/c1-15(2)32-19-11-21(25-13-18(19)23(29-32)30-9-3-4-10-30)27-20-7-8-24-22(28-20)16-12-26-31(14-16)35(33,34)17-5-6-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,24,25,27,28)
InChIKeyPYJAUTXMZMYDEF-UHFFFAOYSA-N
XLogP3.35
TPSA123.72 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine (CID 137364176) is N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine is CC(C)n1nc(N2CCCC2)c2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21.
What is the InChIKey of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is PYJAUTXMZMYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O2S/c1-15(2)32-19-11-21(25-13-18(19)23(29-32)30-9-3-4-10-30)27-20-7-8-24-22(28-20)16-12-26-31(14-16)35(33,34)17-5-6-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,24,25,27,28).
What are the key properties of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine?
N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 493.60 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-3-pyrrolidin-1-ylpyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 137364176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).