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

C23H29N7 — CID 46902013

IUPACN-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine
SMILESc1cc(-c2cc(-c3cn[nH]c3)cc(N3CCNCC3)n2)cc(NC2CCCCC2)n1
InChIInChI=1S/C23H29N7/c1-2-4-20(5-3-1)28-22-13-17(6-7-25-22)21-12-18(19-15-26-27-16-19)14-23(29-21)30-10-8-24-9-11-30/h6-7,12-16,20,24H,1-5,8-11H2,(H,25,28)(H,26,27)
InChIKeyIHAKCSKGCPKKPZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.69
Rot. Bonds5

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

N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine (PubChem CID 46902013) 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-4-yl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine
PubChem CID46902013
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC NameN-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine
SMILESc1cc(-c2cc(-c3cn[nH]c3)cc(N3CCNCC3)n2)cc(NC2CCCCC2)n1
InChIInChI=1S/C23H29N7/c1-2-4-20(5-3-1)28-22-13-17(6-7-25-22)21-12-18(19-15-26-27-16-19)14-23(29-21)30-10-8-24-9-11-30/h6-7,12-16,20,24H,1-5,8-11H2,(H,25,28)(H,26,27)
InChIKeyIHAKCSKGCPKKPZ-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-4-yl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine (CID 46902013) is N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine is c1cc(-c2cc(-c3cn[nH]c3)cc(N3CCNCC3)n2)cc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is IHAKCSKGCPKKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-2-4-20(5-3-1)28-22-13-17(6-7-25-22)21-12-18(19-15-26-27-16-19)14-23(29-21)30-10-8-24-9-11-30/h6-7,12-16,20,24H,1-5,8-11H2,(H,25,28)(H,26,27).
What are the key properties of N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine?
N-cyclohexyl-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-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-4-yl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 46902013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).