N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide

C28H34N10O — CID 163437247

About N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide

N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 163437247) has the molecular formula C28H34N10O and a molecular weight of 526.65 g/mol. Its IUPAC name is N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide
• PubChem CID: 163437247
• Molecular Formula: C28H34N10O
• Molecular Weight: 526.65 g/mol
• Exact Mass: 526.29
• IUPAC Name: N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide
• SMILES: C=c1[nH]nc(-c2nc3c(N4CCN(C)CC4)cncc3[nH]2)/c1=C/C(=C\N)c1cncc(NC(=O)CC(C)C)c1
• InChI: InChI=1S/C28H34N10O/c1-17(2)9-25(39)32-21-10-20(13-30-14-21)19(12-29)11-22-18(3)35-36-26(22)28-33-23-15-31-16-24(27(23)34-28)38-7-5-37(4)6-8-38/h10-17,35H,3,5-9,29H2,1-2,4H3,(H,32,39)(H,33,34)/b19-12+,22-11+
• InChIKey: AVOCXJBHUNBUFD-ZAKCCFBKSA-N
• XLogP: 1.67
• TPSA: 144.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.65
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide?

The IUPAC name of N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide (CID 163437247) is N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide.

What is the SMILES notation for N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide?

The canonical SMILES for N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide is C=c1[nH]nc(-c2nc3c(N4CCN(C)CC4)cncc3[nH]2)/c1=C/C(=C\N)c1cncc(NC(=O)CC(C)C)c1.

What is the InChIKey of N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide?

The InChIKey is AVOCXJBHUNBUFD-ZAKCCFBKSA-N. The full InChI is InChI=1S/C28H34N10O/c1-17(2)9-25(39)32-21-10-20(13-30-14-21)19(12-29)11-22-18(3)35-36-26(22)28-33-23-15-31-16-24(27(23)34-28)38-7-5-37(4)6-8-38/h10-17,35H,3,5-9,29H2,1-2,4H3,(H,32,39)(H,33,34)/b19-12+,22-11+.

What are the key properties of N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide?

N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 526.65 g/mol, XLogP of 1.67, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(E,3E)-1-amino-3-[5-methylidene-3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 163437247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).