N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide

C30H35FN10O — CID 145038638

IUPACN-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(C(=C/N)/C(F)=c2/c(-c3nc4c(N5CCN(C)CC5)nccc4[nH]3)n[nH]c2=C2CC2)c1
InChIInChI=1S/C30H35FN10O/c1-3-4-5-23(42)35-20-14-19(16-33-17-20)21(15-32)25(31)24-26(18-6-7-18)38-39-28(24)29-36-22-8-9-34-30(27(22)37-29)41-12-10-40(2)11-13-41/h8-9,14-17,38H,3-7,10-13,32H2,1-2H3,(H,35,42)(H,36,37)/b21-15-,25-24-
InChIKeyWPUWUXOQAKQWEC-PSYZWBJOSA-N
MW570.68 g/mol
LogP2.65
Rot. Bonds8

About N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide

N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide (PubChem CID 145038638) has the molecular formula C30H35FN10O and a molecular weight of 570.68 g/mol. Its IUPAC name is N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide
PubChem CID145038638
Molecular FormulaC30H35FN10O
Molecular Weight570.68 g/mol
Exact Mass570.30
IUPAC NameN-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(C(=C/N)/C(F)=c2/c(-c3nc4c(N5CCN(C)CC5)nccc4[nH]3)n[nH]c2=C2CC2)c1
InChIInChI=1S/C30H35FN10O/c1-3-4-5-23(42)35-20-14-19(16-33-17-20)21(15-32)25(31)24-26(18-6-7-18)38-39-28(24)29-36-22-8-9-34-30(27(22)37-29)41-12-10-40(2)11-13-41/h8-9,14-17,38H,3-7,10-13,32H2,1-2H3,(H,35,42)(H,36,37)/b21-15-,25-24-
InChIKeyWPUWUXOQAKQWEC-PSYZWBJOSA-N
XLogP2.65
TPSA144.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.68
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide (CID 145038638) is N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(C(=C/N)/C(F)=c2/c(-c3nc4c(N5CCN(C)CC5)nccc4[nH]3)n[nH]c2=C2CC2)c1.
What is the InChIKey of N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide?
The InChIKey is WPUWUXOQAKQWEC-PSYZWBJOSA-N. The full InChI is InChI=1S/C30H35FN10O/c1-3-4-5-23(42)35-20-14-19(16-33-17-20)21(15-32)25(31)24-26(18-6-7-18)38-39-28(24)29-36-22-8-9-34-30(27(22)37-29)41-12-10-40(2)11-13-41/h8-9,14-17,38H,3-7,10-13,32H2,1-2H3,(H,35,42)(H,36,37)/b21-15-,25-24-.
What are the key properties of N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide?
N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide has a molecular weight of 570.68 g/mol, XLogP of 2.65, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z,3Z)-1-amino-3-[5-cyclopropylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 145038638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).