CID 140738426

C24H23ClN7O — CID 140738426

IUPAC—
SMILES[NH]c1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)C2)cc1
InChIInChI=1S/C24H23ClN7O/c25-20-14-27-24(31-22(20)19-13-28-32-11-2-1-6-21(19)32)30-18-5-3-4-17(12-18)29-23(33)15-7-9-16(26)10-8-15/h1-2,6-11,13-14,17-18,26H,3-5,12H2,(H,29,33)(H,27,30,31)/t17-,18+/m0/s1
InChIKeyKTDHFXHGBQBMPX-ZWKOTPCHSA-N
MW460.95 g/mol
LogP4.51
Rot. Bonds5

About CID 140738426

CID 140738426 (PubChem CID 140738426) has the molecular formula C24H23ClN7O and a molecular weight of 460.95 g/mol.

Molecular Properties

Compound NameCID 140738426
PubChem CID140738426
Molecular FormulaC24H23ClN7O
Molecular Weight460.95 g/mol
Exact Mass460.17
IUPAC Name—
SMILES[NH]c1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)C2)cc1
InChIInChI=1S/C24H23ClN7O/c25-20-14-27-24(31-22(20)19-13-28-32-11-2-1-6-21(19)32)30-18-5-3-4-17(12-18)29-23(33)15-7-9-16(26)10-8-15/h1-2,6-11,13-14,17-18,26H,3-5,12H2,(H,29,33)(H,27,30,31)/t17-,18+/m0/s1
InChIKeyKTDHFXHGBQBMPX-ZWKOTPCHSA-N
XLogP4.51
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.95
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]benzamide
CID 163771707
tert-butyl N-[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]carbamate
CID 118034030
4-amino-N-[(1S,3R)-3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 121291095
1-[4-[[[(1S,3R)-3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
CID 135255567
N-(3-aminocyclohexyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816673
N-[(1S,3R)-3-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]-4-methylbenzamide
CID 144832719
[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
CID 118417945
tert-butyl N-[4-[[(1S,3R)-3-[[5-chloro-4-(3H-inden-1-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamoyl]phenyl]carbamate
CID 122534388
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-ethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127050855
4-amino-N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide;N'-[4-[[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamoyl]phenyl]oxamide;oxamic acid
CID 158630954
(3R)-3-amino-N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclobutene-1-carboxamide
CID 144940843
[(3R)-3-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]carbamic acid
CID 118024247

Frequently Asked Questions

What is the IUPAC name of CID 140738426?
The IUPAC name of CID 140738426 (CID 140738426) is not available.
What is the SMILES notation for CID 140738426?
The canonical SMILES for CID 140738426 is [NH]c1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cnn5ccccc45)n3)C2)cc1.
What is the InChIKey of CID 140738426?
The InChIKey is KTDHFXHGBQBMPX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H23ClN7O/c25-20-14-27-24(31-22(20)19-13-28-32-11-2-1-6-21(19)32)30-18-5-3-4-17(12-18)29-23(33)15-7-9-16(26)10-8-15/h1-2,6-11,13-14,17-18,26H,3-5,12H2,(H,29,33)(H,27,30,31)/t17-,18+/m0/s1.
What are the key properties of CID 140738426?
CID 140738426 has a molecular weight of 460.95 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140738426 is sourced from PubChem (CID 140738426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).