N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine

C23H29N7 — CID 46899552

IUPACN-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine
SMILESc1cc(-c2cc(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)c2)[nH]n1
InChIInChI=1S/C23H29N7/c1-2-4-19(5-3-1)27-22-15-17(6-8-25-22)21-14-18(20-7-9-26-29-20)16-23(28-21)30-12-10-24-11-13-30/h6-9,14-16,19,24H,1-5,10-13H2,(H,25,27)(H,26,29)
InChIKeyZIATUPKJNZVSLT-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.69
Rot. Bonds5

About N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine

N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine (PubChem CID 46899552) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine
PubChem CID46899552
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC NameN-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine
SMILESc1cc(-c2cc(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)c2)[nH]n1
InChIInChI=1S/C23H29N7/c1-2-4-19(5-3-1)27-22-15-17(6-8-25-22)21-14-18(20-7-9-26-29-20)16-23(28-21)30-12-10-24-11-13-30/h6-9,14-16,19,24H,1-5,10-13H2,(H,25,27)(H,26,29)
InChIKeyZIATUPKJNZVSLT-UHFFFAOYSA-N
XLogP3.69
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine (CID 46899552) is N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine is c1cc(-c2cc(-c3ccnc(NC4CCCCC4)c3)nc(N3CCNCC3)c2)[nH]n1.
What is the InChIKey of N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is ZIATUPKJNZVSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-2-4-19(5-3-1)27-22-15-17(6-8-25-22)21-14-18(20-7-9-26-29-20)16-23(28-21)30-12-10-24-11-13-30/h6-9,14-16,19,24H,1-5,10-13H2,(H,25,27)(H,26,29).
What are the key properties of N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine?
N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 403.53 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-5-yl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 46899552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).