[(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C23H31N7O — CID 129114911

IUPAC[(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCN1c1nc2c(c(Nc3cc(CC4CC4)[nH]n3)n1)CCC2)N1CCCC1
InChIInChI=1S/C23H31N7O/c31-22(29-10-1-2-11-29)19-7-4-12-30(19)23-24-18-6-3-5-17(18)21(26-23)25-20-14-16(27-28-20)13-15-8-9-15/h14-15,19H,1-13H2,(H2,24,25,26,27,28)/t19-/m1/s1
InChIKeyHZNALJUVLCYFAC-LJQANCHMSA-N
MW421.55 g/mol
LogP2.98
Rot. Bonds6

About [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 129114911) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID129114911
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name[(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CCCN1c1nc2c(c(Nc3cc(CC4CC4)[nH]n3)n1)CCC2)N1CCCC1
InChIInChI=1S/C23H31N7O/c31-22(29-10-1-2-11-29)19-7-4-12-30(19)23-24-18-6-3-5-17(18)21(26-23)25-20-14-16(27-28-20)13-15-8-9-15/h14-15,19H,1-13H2,(H2,24,25,26,27,28)/t19-/m1/s1
InChIKeyHZNALJUVLCYFAC-LJQANCHMSA-N
XLogP2.98
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 129114911) is [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CCCN1c1nc2c(c(Nc3cc(CC4CC4)[nH]n3)n1)CCC2)N1CCCC1.
What is the InChIKey of [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HZNALJUVLCYFAC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N7O/c31-22(29-10-1-2-11-29)19-7-4-12-30(19)23-24-18-6-3-5-17(18)21(26-23)25-20-14-16(27-28-20)13-15-8-9-15/h14-15,19H,1-13H2,(H2,24,25,26,27,28)/t19-/m1/s1.
What are the key properties of [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 421.55 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[[5-(cyclopropylmethyl)-1H-pyrazol-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 129114911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).