(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine

C19H24N6O — CID 130372041

IUPAC(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](N)CC4C)ncn3)c2c1
InChIInChI=1S/C19H24N6O/c1-11(2)26-14-4-5-16-15(7-14)19(24-23-16)17-8-18(22-10-21-17)25-9-13(20)6-12(25)3/h4-5,7-8,10-13H,6,9,20H2,1-3H3,(H,23,24)/t12?,13-/m1/s1
InChIKeyZNNNSSJVWSEXGC-ZGTCLIOFSA-N
MW352.44 g/mol
LogP2.73
Rot. Bonds4

About (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine

(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 130372041) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID130372041
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](N)CC4C)ncn3)c2c1
InChIInChI=1S/C19H24N6O/c1-11(2)26-14-4-5-16-15(7-14)19(24-23-16)17-8-18(22-10-21-17)25-9-13(20)6-12(25)3/h4-5,7-8,10-13H,6,9,20H2,1-3H3,(H,23,24)/t12?,13-/m1/s1
InChIKeyZNNNSSJVWSEXGC-ZGTCLIOFSA-N
XLogP2.73
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine (CID 130372041) is (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine is CC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@H](N)CC4C)ncn3)c2c1.
What is the InChIKey of (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is ZNNNSSJVWSEXGC-ZGTCLIOFSA-N. The full InChI is InChI=1S/C19H24N6O/c1-11(2)26-14-4-5-16-15(7-14)19(24-23-16)17-8-18(22-10-21-17)25-9-13(20)6-12(25)3/h4-5,7-8,10-13H,6,9,20H2,1-3H3,(H,23,24)/t12?,13-/m1/s1.
What are the key properties of (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
(3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 352.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 130372041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).