2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide

C22H29N9O — CID 42099693

IUPAC2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21
InChIInChI=1S/C22H29N9O/c32-19(14-17-4-1-2-5-17)23-8-9-31-21-18(15-28-31)20(26-16-27-21)29-10-12-30(13-11-29)22-24-6-3-7-25-22/h3,6-7,15-17H,1-2,4-5,8-14H2,(H,23,32)
InChIKeyZNGGXEWTANRSCU-UHFFFAOYSA-N
MW435.54 g/mol
LogP1.64
Rot. Bonds7

About 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide

2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (PubChem CID 42099693) has the molecular formula C22H29N9O and a molecular weight of 435.54 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
PubChem CID42099693
Molecular FormulaC22H29N9O
Molecular Weight435.54 g/mol
Exact Mass435.25
IUPAC Name2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21
InChIInChI=1S/C22H29N9O/c32-19(14-17-4-1-2-5-17)23-8-9-31-21-18(15-28-31)20(26-16-27-21)29-10-12-30(13-11-29)22-24-6-3-7-25-22/h3,6-7,15-17H,1-2,4-5,8-14H2,(H,23,32)
InChIKeyZNGGXEWTANRSCU-UHFFFAOYSA-N
XLogP1.64
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (CID 42099693) is 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is O=C(CC1CCCC1)NCCn1ncc2c(N3CCN(c4ncccn4)CC3)ncnc21.
What is the InChIKey of 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The InChIKey is ZNGGXEWTANRSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N9O/c32-19(14-17-4-1-2-5-17)23-8-9-31-21-18(15-28-31)20(26-16-27-21)29-10-12-30(13-11-29)22-24-6-3-7-25-22/h3,6-7,15-17H,1-2,4-5,8-14H2,(H,23,32).
What are the key properties of 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide has a molecular weight of 435.54 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 42099693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).