N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

C23H26N8O2 — CID 71678631

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1cnc2[nH]cc(NC(=O)c3cnn(Cc4ccncc4)c3)c2c1N1CCC[C@@H](N)C1
InChIInChI=1S/C23H26N8O2/c1-33-19-11-27-22-20(21(19)30-8-2-3-17(24)14-30)18(10-26-22)29-23(32)16-9-28-31(13-16)12-15-4-6-25-7-5-15/h4-7,9-11,13,17H,2-3,8,12,14,24H2,1H3,(H,26,27)(H,29,32)/t17-/m1/s1
InChIKeyXBPPJNNXAGYWRI-QGZVFWFLSA-N
MW446.52 g/mol
LogP2.39
Rot. Bonds6

About N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 71678631) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID71678631
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1cnc2[nH]cc(NC(=O)c3cnn(Cc4ccncc4)c3)c2c1N1CCC[C@@H](N)C1
InChIInChI=1S/C23H26N8O2/c1-33-19-11-27-22-20(21(19)30-8-2-3-17(24)14-30)18(10-26-22)29-23(32)16-9-28-31(13-16)12-15-4-6-25-7-5-15/h4-7,9-11,13,17H,2-3,8,12,14,24H2,1H3,(H,26,27)(H,29,32)/t17-/m1/s1
InChIKeyXBPPJNNXAGYWRI-QGZVFWFLSA-N
XLogP2.39
TPSA126.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide (CID 71678631) is N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is COc1cnc2[nH]cc(NC(=O)c3cnn(Cc4ccncc4)c3)c2c1N1CCC[C@@H](N)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is XBPPJNNXAGYWRI-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-33-19-11-27-22-20(21(19)30-8-2-3-17(24)14-30)18(10-26-22)29-23(32)16-9-28-31(13-16)12-15-4-6-25-7-5-15/h4-7,9-11,13,17H,2-3,8,12,14,24H2,1H3,(H,26,27)(H,29,32)/t17-/m1/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide?
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-(pyridin-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71678631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).