4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol

C26H29N7O — CID 135411005

IUPAC4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H29N7O/c34-20-11-9-17(10-12-20)24-23(21-13-15-27-25(31-21)29-18-5-1-2-6-18)22-14-16-28-26(33(22)32-24)30-19-7-3-4-8-19/h9-16,18-19,34H,1-8H2,(H,28,30)(H,27,29,31)
InChIKeyQTATXRNMOPZPFS-UHFFFAOYSA-N
MW455.57 g/mol
LogP5.27
Rot. Bonds6

About 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol

4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol (PubChem CID 135411005) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol
PubChem CID135411005
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H29N7O/c34-20-11-9-17(10-12-20)24-23(21-13-15-27-25(31-21)29-18-5-1-2-6-18)22-14-16-28-26(33(22)32-24)30-19-7-3-4-8-19/h9-16,18-19,34H,1-8H2,(H,28,30)(H,27,29,31)
InChIKeyQTATXRNMOPZPFS-UHFFFAOYSA-N
XLogP5.27
TPSA100.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.57
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol (CID 135411005) is 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol is Oc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol?
The InChIKey is QTATXRNMOPZPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c34-20-11-9-17(10-12-20)24-23(21-13-15-27-25(31-21)29-18-5-1-2-6-18)22-14-16-28-26(33(22)32-24)30-19-7-3-4-8-19/h9-16,18-19,34H,1-8H2,(H,28,30)(H,27,29,31).
What are the key properties of 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol?
4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol has a molecular weight of 455.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-2-yl]phenol is sourced from PubChem (CID 135411005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).