2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

C25H23ClN6O2 — CID 170774608

IUPAC2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1)C1CC1c1cc(Cl)ccc1O
InChIInChI=1S/C25H23ClN6O2/c26-16-4-5-21(33)19(7-16)18-8-20(18)25(34)31-23-9-22(28-13-29-23)27-10-17-12-32-11-15(14-1-2-14)3-6-24(32)30-17/h3-7,9,11-14,18,20,33H,1-2,8,10H2,(H2,27,28,29,31,34)
InChIKeyYVCUNWBCENVOMG-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.72
Rot. Bonds7

About 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide

2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 170774608) has the molecular formula C25H23ClN6O2 and a molecular weight of 474.95 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
PubChem CID170774608
Molecular FormulaC25H23ClN6O2
Molecular Weight474.95 g/mol
Exact Mass474.16
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1)C1CC1c1cc(Cl)ccc1O
InChIInChI=1S/C25H23ClN6O2/c26-16-4-5-21(33)19(7-16)18-8-20(18)25(34)31-23-9-22(28-13-29-23)27-10-17-12-32-11-15(14-1-2-14)3-6-24(32)30-17/h3-7,9,11-14,18,20,33H,1-2,8,10H2,(H2,27,28,29,31,34)
InChIKeyYVCUNWBCENVOMG-UHFFFAOYSA-N
XLogP4.72
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide (CID 170774608) is 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1)C1CC1c1cc(Cl)ccc1O.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is YVCUNWBCENVOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O2/c26-16-4-5-21(33)19(7-16)18-8-20(18)25(34)31-23-9-22(28-13-29-23)27-10-17-12-32-11-15(14-1-2-14)3-6-24(32)30-17/h3-7,9,11-14,18,20,33H,1-2,8,10H2,(H2,27,28,29,31,34).
What are the key properties of 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)-N-[6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170774608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).