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

C22H29N9O — CID 90235788

IUPAC(2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCC[C@H]3C(=O)NCc3ccn[nH]3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C22H29N9O/c1-13(2)17-11-19(30-29-17)26-20-15-5-3-6-16(15)25-22(27-20)31-10-4-7-18(31)21(32)23-12-14-8-9-24-28-14/h8-9,11,13,18H,3-7,10,12H2,1-2H3,(H,23,32)(H,24,28)(H2,25,26,27,29,30)/t18-/m0/s1
InChIKeyHLUQXAISASZLDB-SFHVURJKSA-N
MW435.54 g/mol
LogP2.56
Rot. Bonds7

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

(2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 90235788) has the molecular formula C22H29N9O and a molecular weight of 435.54 g/mol. Its IUPAC name is (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID90235788
Molecular FormulaC22H29N9O
Molecular Weight435.54 g/mol
Exact Mass435.25
IUPAC Name(2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1cc(Nc2nc(N3CCC[C@H]3C(=O)NCc3ccn[nH]3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C22H29N9O/c1-13(2)17-11-19(30-29-17)26-20-15-5-3-6-16(15)25-22(27-20)31-10-4-7-18(31)21(32)23-12-14-8-9-24-28-14/h8-9,11,13,18H,3-7,10,12H2,1-2H3,(H,23,32)(H,24,28)(H2,25,26,27,29,30)/t18-/m0/s1
InChIKeyHLUQXAISASZLDB-SFHVURJKSA-N
XLogP2.56
TPSA127.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 90235788) is (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is CC(C)c1cc(Nc2nc(N3CCC[C@H]3C(=O)NCc3ccn[nH]3)nc3c2CCC3)n[nH]1.
What is the InChIKey of (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HLUQXAISASZLDB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N9O/c1-13(2)17-11-19(30-29-17)26-20-15-5-3-6-16(15)25-22(27-20)31-10-4-7-18(31)21(32)23-12-14-8-9-24-28-14/h8-9,11,13,18H,3-7,10,12H2,1-2H3,(H,23,32)(H,24,28)(H2,25,26,27,29,30)/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 2.56, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 90235788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).