8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide

C28H33N7O — CID 139448791

IUPAC8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)C1=NCCCc2ccc(-c3cnn(C4CCNCC4)c3)cc21
InChIInChI=1S/C28H33N7O/c36-28(33-23-7-8-26(31-18-23)34-14-1-2-15-34)27-25-16-21(6-5-20(25)4-3-11-30-27)22-17-32-35(19-22)24-9-12-29-13-10-24/h5-8,16-19,24,29H,1-4,9-15H2,(H,33,36)
InChIKeyNANUVYCGNRUVNI-UHFFFAOYSA-N
MW483.62 g/mol
LogP3.84
Rot. Bonds5

About 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide

8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide (PubChem CID 139448791) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide.

Molecular Properties

Compound Name8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
PubChem CID139448791
Molecular FormulaC28H33N7O
Molecular Weight483.62 g/mol
Exact Mass483.27
IUPAC Name8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)C1=NCCCc2ccc(-c3cnn(C4CCNCC4)c3)cc21
InChIInChI=1S/C28H33N7O/c36-28(33-23-7-8-26(31-18-23)34-14-1-2-15-34)27-25-16-21(6-5-20(25)4-3-11-30-27)22-17-32-35(19-22)24-9-12-29-13-10-24/h5-8,16-19,24,29H,1-4,9-15H2,(H,33,36)
InChIKeyNANUVYCGNRUVNI-UHFFFAOYSA-N
XLogP3.84
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide?
The IUPAC name of 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide (CID 139448791) is 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide.
What is the SMILES notation for 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide?
The canonical SMILES for 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)C1=NCCCc2ccc(-c3cnn(C4CCNCC4)c3)cc21.
What is the InChIKey of 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide?
The InChIKey is NANUVYCGNRUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c36-28(33-23-7-8-26(31-18-23)34-14-1-2-15-34)27-25-16-21(6-5-20(25)4-3-11-30-27)22-17-32-35(19-22)24-9-12-29-13-10-24/h5-8,16-19,24,29H,1-4,9-15H2,(H,33,36).
What are the key properties of 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide?
8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide is sourced from PubChem (CID 139448791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).