4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine

C19H21FN8 — CID 144535950

IUPAC4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(NC2C=C(C3CC3)NN2)n1)c1c(F)ccc2[nH]ncc12
InChIInChI=1S/C19H21FN8/c1-10(18-12-9-22-26-14(12)5-4-13(18)20)23-19-21-7-6-16(25-19)24-17-8-15(27-28-17)11-2-3-11/h4-11,17,27-28H,2-3H2,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyYPSYIKJPAZXSNQ-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.80
Rot. Bonds6

About 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 144535950) has the molecular formula C19H21FN8 and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID144535950
Molecular FormulaC19H21FN8
Molecular Weight380.43 g/mol
Exact Mass380.19
IUPAC Name4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(NC2C=C(C3CC3)NN2)n1)c1c(F)ccc2[nH]ncc12
InChIInChI=1S/C19H21FN8/c1-10(18-12-9-22-26-14(12)5-4-13(18)20)23-19-21-7-6-16(25-19)24-17-8-15(27-28-17)11-2-3-11/h4-11,17,27-28H,2-3H2,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyYPSYIKJPAZXSNQ-UHFFFAOYSA-N
XLogP2.80
TPSA102.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 144535950) is 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine is CC(Nc1nccc(NC2C=C(C3CC3)NN2)n1)c1c(F)ccc2[nH]ncc12.
What is the InChIKey of 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is YPSYIKJPAZXSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN8/c1-10(18-12-9-22-26-14(12)5-4-13(18)20)23-19-21-7-6-16(25-19)24-17-8-15(27-28-17)11-2-3-11/h4-11,17,27-28H,2-3H2,1H3,(H,22,26)(H2,21,23,24,25).
What are the key properties of 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 380.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[1-(5-fluoro-1H-indazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 144535950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).