4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine

C22H25N7 — CID 71272228

IUPAC4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(c1ccc2[nH]ccc2c1)c1cnc(N)nc1Nc1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C22H25N7/c1-13(15-6-7-18-16(10-15)8-9-24-18)17-12-25-22(23)27-21(17)26-20-11-19(28-29-20)14-4-2-3-5-14/h6-14,24H,2-5H2,1H3,(H4,23,25,26,27,28,29)
InChIKeyKBKCQIREXXQDRH-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.82
Rot. Bonds5

About 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine

4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 71272228) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID71272228
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(c1ccc2[nH]ccc2c1)c1cnc(N)nc1Nc1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C22H25N7/c1-13(15-6-7-18-16(10-15)8-9-24-18)17-12-25-22(23)27-21(17)26-20-11-19(28-29-20)14-4-2-3-5-14/h6-14,24H,2-5H2,1H3,(H4,23,25,26,27,28,29)
InChIKeyKBKCQIREXXQDRH-UHFFFAOYSA-N
XLogP4.82
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol
CID 71272621
2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 123586243
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
CID 123182853
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(1H-indol-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59299033
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 141159470
(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67456086
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(1H-indol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 71529062
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine
CID 123994546
5-(1-chloroethyl)-1H-indole
CID 174700849
5-propan-2-yl-1H-indole
CID 10558918
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine
CID 67478872
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-ethyl-2-N-[1-(5H-pyrrolo[3,2-d]pyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 78132840

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine (CID 71272228) is 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine is CC(c1ccc2[nH]ccc2c1)c1cnc(N)nc1Nc1cc(C2CCCC2)[nH]n1.
What is the InChIKey of 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is KBKCQIREXXQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-13(15-6-7-18-16(10-15)8-9-24-18)17-12-25-22(23)27-21(17)26-20-11-19(28-29-20)14-4-2-3-5-14/h6-14,24H,2-5H2,1H3,(H4,23,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 387.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-[1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71272228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).