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

C24H30N8O — CID 90258957

IUPAC(2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN1c1nc2c(c(Nc3cc(-c4ccncc4)[nH]n3)n1)CCC2
InChIInChI=1S/C24H30N8O/c1-3-31(4-2)23(33)20-9-6-14-32(20)24-26-18-8-5-7-17(18)22(28-24)27-21-15-19(29-30-21)16-10-12-25-13-11-16/h10-13,15,20H,3-9,14H2,1-2H3,(H2,26,27,28,29,30)/t20-/m1/s1
InChIKeyDCAHNTTYKIWOLZ-HXUWFJFHSA-N
MW446.56 g/mol
LogP3.33
Rot. Bonds7

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

(2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 90258957) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is (2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID90258957
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name(2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN1c1nc2c(c(Nc3cc(-c4ccncc4)[nH]n3)n1)CCC2
InChIInChI=1S/C24H30N8O/c1-3-31(4-2)23(33)20-9-6-14-32(20)24-26-18-8-5-7-17(18)22(28-24)27-21-15-19(29-30-21)16-10-12-25-13-11-16/h10-13,15,20H,3-9,14H2,1-2H3,(H2,26,27,28,29,30)/t20-/m1/s1
InChIKeyDCAHNTTYKIWOLZ-HXUWFJFHSA-N
XLogP3.33
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 90258957) is (2R)-N,N-diethyl-1-[4-[(5-pyridin-4-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,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@H]1CCCN1c1nc2c(c(Nc3cc(-c4ccncc4)[nH]n3)n1)CCC2.
What is the InChIKey of (2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is DCAHNTTYKIWOLZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N8O/c1-3-31(4-2)23(33)20-9-6-14-32(20)24-26-18-8-5-7-17(18)22(28-24)27-21-15-19(29-30-21)16-10-12-25-13-11-16/h10-13,15,20H,3-9,14H2,1-2H3,(H2,26,27,28,29,30)/t20-/m1/s1.
What are the key properties of (2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-1-[4-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90258957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).