(2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

C21H26N8O2 — CID 129114541

IUPAC(2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCC[C@@H]3C(=O)Nc3ncco3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C21H26N8O2/c1-12(2)15-11-17(28-27-15)24-18-13-5-3-6-14(13)23-20(25-18)29-9-4-7-16(29)19(30)26-21-22-8-10-31-21/h8,10-12,16H,3-7,9H2,1-2H3,(H,22,26,30)(H2,23,24,25,27,28)/t16-/m1/s1
InChIKeyHWAFBJAEAJHVOJ-MRXNPFEDSA-N
MW422.49 g/mol
LogP3.15
Rot. Bonds6

About (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

(2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 129114541) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID129114541
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name(2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCC[C@@H]3C(=O)Nc3ncco3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C21H26N8O2/c1-12(2)15-11-17(28-27-15)24-18-13-5-3-6-14(13)23-20(25-18)29-9-4-7-16(29)19(30)26-21-22-8-10-31-21/h8,10-12,16H,3-7,9H2,1-2H3,(H,22,26,30)(H2,23,24,25,27,28)/t16-/m1/s1
InChIKeyHWAFBJAEAJHVOJ-MRXNPFEDSA-N
XLogP3.15
TPSA124.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 129114541) is (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is CC(C)c1cc(Nc2nc(N3CCC[C@@H]3C(=O)Nc3ncco3)nc3c2CCC3)n[nH]1.
What is the InChIKey of (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is HWAFBJAEAJHVOJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-12(2)15-11-17(28-27-15)24-18-13-5-3-6-14(13)23-20(25-18)29-9-4-7-16(29)19(30)26-21-22-8-10-31-21/h8,10-12,16H,3-7,9H2,1-2H3,(H,22,26,30)(H2,23,24,25,27,28)/t16-/m1/s1.
What are the key properties of (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-oxazol-2-yl)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 129114541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).