N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine

C21H29N9 — CID 166460153

IUPACN-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
SMILESCC(C)n1ncc2cnc(Nc3cc(N4CCNCC4)nc(N4CCCC4)n3)cc21
InChIInChI=1S/C21H29N9/c1-15(2)30-17-11-18(23-13-16(17)14-24-30)25-19-12-20(28-9-5-22-6-10-28)27-21(26-19)29-7-3-4-8-29/h11-15,22H,3-10H2,1-2H3,(H,23,25,26,27)
InChIKeyCQNIKPLZPRIDNU-UHFFFAOYSA-N
MW407.53 g/mol
LogP2.56
Rot. Bonds5

About N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine

N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine (PubChem CID 166460153) has the molecular formula C21H29N9 and a molecular weight of 407.53 g/mol. Its IUPAC name is N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
PubChem CID166460153
Molecular FormulaC21H29N9
Molecular Weight407.53 g/mol
Exact Mass407.25
IUPAC NameN-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
SMILESCC(C)n1ncc2cnc(Nc3cc(N4CCNCC4)nc(N4CCCC4)n3)cc21
InChIInChI=1S/C21H29N9/c1-15(2)30-17-11-18(23-13-16(17)14-24-30)25-19-12-20(28-9-5-22-6-10-28)27-21(26-19)29-7-3-4-8-29/h11-15,22H,3-10H2,1-2H3,(H,23,25,26,27)
InChIKeyCQNIKPLZPRIDNU-UHFFFAOYSA-N
XLogP2.56
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine (CID 166460153) is N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine is CC(C)n1ncc2cnc(Nc3cc(N4CCNCC4)nc(N4CCCC4)n3)cc21.
What is the InChIKey of N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is CQNIKPLZPRIDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N9/c1-15(2)30-17-11-18(23-13-16(17)14-24-30)25-19-12-20(28-9-5-22-6-10-28)27-21(26-19)29-7-3-4-8-29/h11-15,22H,3-10H2,1-2H3,(H,23,25,26,27).
What are the key properties of N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine?
N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 407.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperazin-1-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 166460153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).