N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide

About N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137284361) has the molecular formula C28H29N9O and a molecular weight of 507.60 g/mol. Its IUPAC name is N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name	N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
PubChem CID	137284361
Molecular Formula	C28H29N9O
Molecular Weight	507.60 g/mol
Exact Mass	507.25
IUPAC Name	N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
SMILES	C=N/C(C)=C\N(C)c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(NC(=O)CCCC)c5)cc34)cc12
InChI	InChI=1S/C28H29N9O/c1-5-6-7-26(38)33-19-10-18(13-30-14-19)23-11-20-25(15-32-23)35-36-27(20)24-12-21-22(34-24)8-9-31-28(21)37(4)16-17(2)29-3/h8-16,34H,3,5-7H2,1-2,4H3,(H,33,38)(H,35,36)/b17-16-
InChIKey	PVVOEVRCGKJNLC-MSUUIHNZSA-N
XLogP	5.69
TPSA	127.84 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide?

The IUPAC name of N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide (CID 137284361) is N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide.

What is the SMILES notation for N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide?

The canonical SMILES for N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide is C=N/C(C)=C\N(C)c1nccc2[nH]c(-c3n[nH]c4cnc(-c5cncc(NC(=O)CCCC)c5)cc34)cc12.

What is the InChIKey of N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide?

The InChIKey is PVVOEVRCGKJNLC-MSUUIHNZSA-N. The full InChI is InChI=1S/C28H29N9O/c1-5-6-7-26(38)33-19-10-18(13-30-14-19)23-11-20-25(15-32-23)35-36-27(20)24-12-21-22(34-24)8-9-31-28(21)37(4)16-17(2)29-3/h8-16,34H,3,5-7H2,1-2,4H3,(H,33,38)(H,35,36)/b17-16-.

What are the key properties of N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide?

N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 507.60 g/mol, XLogP of 5.69, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137284361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).