(1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide

C25H23ClN6O2 — CID 175507838

IUPAC(1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)nc(=O)[nH]1)[C@H]1CC1c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN6O2/c26-17-3-1-2-15(8-17)19-9-20(19)24(33)29-22-10-21(30-25(34)31-22)27-11-18-13-32-12-16(14-4-5-14)6-7-23(32)28-18/h1-3,6-8,10,12-14,19-20H,4-5,9,11H2,(H3,27,29,30,31,33,34)/t19?,20-/m0/s1
InChIKeyKNSUPWHWCMEWFT-ANYOKISRSA-N
MW474.95 g/mol
LogP4.30
Rot. Bonds7

About (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide

(1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide (PubChem CID 175507838) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide
PubChem CID175507838
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name(1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)nc(=O)[nH]1)[C@H]1CC1c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN6O2/c26-17-3-1-2-15(8-17)19-9-20(19)24(33)29-22-10-21(30-25(34)31-22)27-11-18-13-32-12-16(14-4-5-14)6-7-23(32)28-18/h1-3,6-8,10,12-14,19-20H,4-5,9,11H2,(H3,27,29,30,31,33,34)/t19?,20-/m0/s1
InChIKeyKNSUPWHWCMEWFT-ANYOKISRSA-N
XLogP4.30
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide (CID 175507838) is (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide is O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)nc(=O)[nH]1)[C@H]1CC1c1cccc(Cl)c1.
What is the InChIKey of (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is KNSUPWHWCMEWFT-ANYOKISRSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c26-17-3-1-2-15(8-17)19-9-20(19)24(33)29-22-10-21(30-25(34)31-22)27-11-18-13-32-12-16(14-4-5-14)6-7-23(32)28-18/h1-3,6-8,10,12-14,19-20H,4-5,9,11H2,(H3,27,29,30,31,33,34)/t19?,20-/m0/s1.
What are the key properties of (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide?
(1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-chlorophenyl)-N-[4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxo-1H-pyrimidin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175507838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).