3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine

C19H24N6 — CID 171467378

IUPAC3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
SMILESCC(C)c1[nH]nc2ccc(-c3ccnc(NC4CCC(N)C4)n3)cc12
InChIInChI=1S/C19H24N6/c1-11(2)18-15-9-12(3-6-17(15)24-25-18)16-7-8-21-19(23-16)22-14-5-4-13(20)10-14/h3,6-9,11,13-14H,4-5,10,20H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyCDGNDFVZLSYXFE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.43
Rot. Bonds4

About 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine

3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine (PubChem CID 171467378) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
PubChem CID171467378
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine
SMILESCC(C)c1[nH]nc2ccc(-c3ccnc(NC4CCC(N)C4)n3)cc12
InChIInChI=1S/C19H24N6/c1-11(2)18-15-9-12(3-6-17(15)24-25-18)16-7-8-21-19(23-16)22-14-5-4-13(20)10-14/h3,6-9,11,13-14H,4-5,10,20H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyCDGNDFVZLSYXFE-UHFFFAOYSA-N
XLogP3.43
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine (CID 171467378) is 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine is CC(C)c1[nH]nc2ccc(-c3ccnc(NC4CCC(N)C4)n3)cc12.
What is the InChIKey of 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine?
The InChIKey is CDGNDFVZLSYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-11(2)18-15-9-12(3-6-17(15)24-25-18)16-7-8-21-19(23-16)22-14-5-4-13(20)10-14/h3,6-9,11,13-14H,4-5,10,20H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine?
3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine has a molecular weight of 336.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(3-propan-2-yl-2H-indazol-5-yl)pyrimidin-2-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171467378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).