(Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine

C29H29N7O2 — CID 145249076

About (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine

(Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine (PubChem CID 145249076) has the molecular formula C29H29N7O2 and a molecular weight of 507.60 g/mol. Its IUPAC name is (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine
• PubChem CID: 145249076
• Molecular Formula: C29H29N7O2
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.24
• IUPAC Name: (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine
• SMILES: C/C=c1\c(-c2nc3c(-c4ccoc4)cncc3[nH]2)n[nH]\c1=C\C=C(/N)c1cncc(OC2CCCCC2)c1
• InChI: InChI=1S/C29H29N7O2/c1-2-22-25(9-8-24(30)19-12-21(14-31-13-19)38-20-6-4-3-5-7-20)35-36-28(22)29-33-26-16-32-15-23(27(26)34-29)18-10-11-37-17-18/h2,8-17,20,35H,3-7,30H2,1H3,(H,33,34)/b22-2-,24-8-,25-9+
• InChIKey: ZNULMDVXBSSCIK-YGBBNUKMSA-N
• XLogP: 4.30
• TPSA: 131.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.60
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine?

The IUPAC name of (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine (CID 145249076) is (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine.

What is the SMILES notation for (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine?

The canonical SMILES for (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine is C/C=c1\c(-c2nc3c(-c4ccoc4)cncc3[nH]2)n[nH]\c1=C\C=C(/N)c1cncc(OC2CCCCC2)c1.

What is the InChIKey of (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine?

The InChIKey is ZNULMDVXBSSCIK-YGBBNUKMSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-2-22-25(9-8-24(30)19-12-21(14-31-13-19)38-20-6-4-3-5-7-20)35-36-28(22)29-33-26-16-32-15-23(27(26)34-29)18-10-11-37-17-18/h2,8-17,20,35H,3-7,30H2,1H3,(H,33,34)/b22-2-,24-8-,25-9+.

What are the key properties of (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine?

(Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine has a molecular weight of 507.60 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,3E)-1-(5-cyclohexyloxy-3-pyridinyl)-3-[(4Z)-4-ethylidene-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-5-ylidene]prop-1-en-1-amine is sourced from PubChem (CID 145249076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).