N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide

About N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide

N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137245506) has the molecular formula C27H28N10O and a molecular weight of 508.59 g/mol. Its IUPAC name is N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name	N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
PubChem CID	137245506
Molecular Formula	C27H28N10O
Molecular Weight	508.59 g/mol
Exact Mass	508.24
IUPAC Name	N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
SMILES	C=N/C(C)=C\N(C)c1ccnc2nc(-c3n[nH]c4cnc(-c5cncc(NC(=O)CCCC)c5)cc34)[nH]c12
InChI	InChI=1S/C27H28N10O/c1-5-6-7-23(38)32-18-10-17(12-29-13-18)20-11-19-21(14-31-20)35-36-24(19)27-33-25-22(8-9-30-26(25)34-27)37(4)15-16(2)28-3/h8-15H,3,5-7H2,1-2,4H3,(H,32,38)(H,35,36)(H,30,33,34)/b16-15-
InChIKey	UNJYFSRNHAADFN-NXVVXOECSA-N
XLogP	5.09
TPSA	140.73 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.59
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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

The IUPAC name of N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide (CID 137245506) is N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide.

What is the SMILES notation for N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide?

The canonical SMILES for N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide is C=N/C(C)=C\N(C)c1ccnc2nc(-c3n[nH]c4cnc(-c5cncc(NC(=O)CCCC)c5)cc34)[nH]c12.

What is the InChIKey of N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide?

The InChIKey is UNJYFSRNHAADFN-NXVVXOECSA-N. The full InChI is InChI=1S/C27H28N10O/c1-5-6-7-23(38)32-18-10-17(12-29-13-18)20-11-19-21(14-31-20)35-36-24(19)27-33-25-22(8-9-30-26(25)34-27)37(4)15-16(2)28-3/h8-15H,3,5-7H2,1-2,4H3,(H,32,38)(H,35,36)(H,30,33,34)/b16-15-.

What are the key properties of N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide?

N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 508.59 g/mol, XLogP of 5.09, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-[methyl-[(Z)-2-(methylideneamino)prop-1-enyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137245506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).