1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

C24H26ClN5O — CID 144572153

IUPAC1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1
InChIInChI=1S/C24H26ClN5O/c1-15(2)20-10-8-17(13-27-20)29-23-28-14-19(25)21(30-23)9-7-16-5-3-4-6-18(16)24(11-12-24)22(26)31/h3-6,8,10,13-15H,7,9,11-12H2,1-2H3,(H2,26,31)(H,28,29,30)
InChIKeyBFTCTEQQDARIDX-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.69
Rot. Bonds8

About 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 144572153) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID144572153
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1
InChIInChI=1S/C24H26ClN5O/c1-15(2)20-10-8-17(13-27-20)29-23-28-14-19(25)21(30-23)9-7-16-5-3-4-6-18(16)24(11-12-24)22(26)31/h3-6,8,10,13-15H,7,9,11-12H2,1-2H3,(H2,26,31)(H,28,29,30)
InChIKeyBFTCTEQQDARIDX-UHFFFAOYSA-N
XLogP4.69
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[2-[[6-[1-(azetidin-1-yl)ethyl]-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
CID 73295796
1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide
CID 86712295
2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 73297207
2-[2-[2-[2-(3-acetylanilino)-5-chloropyrimidin-4-yl]ethyl]phenyl]acetamide
CID 86712742
1-[2-[2-[5-chloro-2-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;1-methylpyrazol-3-amine
CID 158231870
1-[2-[2-[5-chloro-2-(pyridazin-4-ylmethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide;methane;pyridazin-4-amine
CID 158556214
1-[2-[2-[2-[(6-butan-2-yl-3-pyridinyl)methyl]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
CID 161312581
1-[6-[2-[2-[[6-[1-(azetidin-1-yl)ethyl]-3-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]cyclohexa-1,5-dien-1-yl]cyclopropane-1-carboxamide
CID 144572151
2-[2-[2-[5-chloro-2-[[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 144572168
[4-[[4-[2-[2-(2-amino-2-oxoethyl)phenyl]ethyl]-5-methylpyrimidin-2-yl]amino]phenyl]methylcarbamic acid
CID 90007862
2-[3-[4-[[5-chloro-4-[2-(3,3-dimethyl-2-oxo-1H-indol-4-yl)ethyl]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-N-methylacetamide
CID 160974016
ethane;2-[2-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]butanamide
CID 144572148

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (CID 144572153) is 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is CC(C)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(C(N)=O)CC3)n2)cn1.
What is the InChIKey of 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is BFTCTEQQDARIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-15(2)20-10-8-17(13-27-20)29-23-28-14-19(25)21(30-23)9-7-16-5-3-4-6-18(16)24(11-12-24)22(26)31/h3-6,8,10,13-15H,7,9,11-12H2,1-2H3,(H2,26,31)(H,28,29,30).
What are the key properties of 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-chloro-2-[(6-propan-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 144572153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).