1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride

C25H30ClN9O2 — CID 67034767

IUPAC1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride
SMILESCC(C)C1CN(CC2COCCN2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1.Cl
InChIInChI=1S/C25H29N9O2.ClH/c1-16(2)21-13-32(12-19-14-36-10-8-26-19)25(35)34(21)22-7-9-33-24(30-22)20(11-29-33)17-3-5-18(6-4-17)23-27-15-28-31-23;/h3-7,9,11,15-16,19,21,26H,8,10,12-14H2,1-2H3,(H,27,28,31);1H
InChIKeyKSAALWRUWLHJAT-UHFFFAOYSA-N
MW524.03 g/mol
LogP2.86
Rot. Bonds6

About 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride

1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride (PubChem CID 67034767) has the molecular formula C25H30ClN9O2 and a molecular weight of 524.03 g/mol. Its IUPAC name is 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride
PubChem CID67034767
Molecular FormulaC25H30ClN9O2
Molecular Weight524.03 g/mol
Exact Mass523.22
IUPAC Name1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride
SMILESCC(C)C1CN(CC2COCCN2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1.Cl
InChIInChI=1S/C25H29N9O2.ClH/c1-16(2)21-13-32(12-19-14-36-10-8-26-19)25(35)34(21)22-7-9-33-24(30-22)20(11-29-33)17-3-5-18(6-4-17)23-27-15-28-31-23;/h3-7,9,11,15-16,19,21,26H,8,10,12-14H2,1-2H3,(H,27,28,31);1H
InChIKeyKSAALWRUWLHJAT-UHFFFAOYSA-N
XLogP2.86
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.03
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride (CID 67034767) is 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride is CC(C)C1CN(CC2COCCN2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1.Cl.
What is the InChIKey of 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride?
The InChIKey is KSAALWRUWLHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2.ClH/c1-16(2)21-13-32(12-19-14-36-10-8-26-19)25(35)34(21)22-7-9-33-24(30-22)20(11-29-33)17-3-5-18(6-4-17)23-27-15-28-31-23;/h3-7,9,11,15-16,19,21,26H,8,10,12-14H2,1-2H3,(H,27,28,31);1H.
What are the key properties of 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride?
1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride has a molecular weight of 524.03 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-3-ylmethyl)-4-propan-2-yl-3-[3-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 67034767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).