6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine

C21H22ClN7 — CID 139344469

IUPAC6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESCc1cnc(N2C[C@@H](C)C[C@@H](c3cn[nH]c3)C2)nc1-c1cnc2ccc(Cl)cn12
InChIInChI=1S/C21H22ClN7/c1-13-5-15(16-7-25-26-8-16)11-28(10-13)21-24-6-14(2)20(27-21)18-9-23-19-4-3-17(22)12-29(18)19/h3-4,6-9,12-13,15H,5,10-11H2,1-2H3,(H,25,26)/t13-,15+/m0/s1
InChIKeyBZDWDZKTHKKQPD-DZGCQCFKSA-N
MW407.91 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine

6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 139344469) has the molecular formula C21H22ClN7 and a molecular weight of 407.91 g/mol. Its IUPAC name is 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
PubChem CID139344469
Molecular FormulaC21H22ClN7
Molecular Weight407.91 g/mol
Exact Mass407.16
IUPAC Name6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESCc1cnc(N2C[C@@H](C)C[C@@H](c3cn[nH]c3)C2)nc1-c1cnc2ccc(Cl)cn12
InChIInChI=1S/C21H22ClN7/c1-13-5-15(16-7-25-26-8-16)11-28(10-13)21-24-6-14(2)20(27-21)18-9-23-19-4-3-17(22)12-29(18)19/h3-4,6-9,12-13,15H,5,10-11H2,1-2H3,(H,25,26)/t13-,15+/m0/s1
InChIKeyBZDWDZKTHKKQPD-DZGCQCFKSA-N
XLogP4.11
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

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US9815842, Example 21
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4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
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4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (CID 139344469) is 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is Cc1cnc(N2C[C@@H](C)C[C@@H](c3cn[nH]c3)C2)nc1-c1cnc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is BZDWDZKTHKKQPD-DZGCQCFKSA-N. The full InChI is InChI=1S/C21H22ClN7/c1-13-5-15(16-7-25-26-8-16)11-28(10-13)21-24-6-14(2)20(27-21)18-9-23-19-4-3-17(22)12-29(18)19/h3-4,6-9,12-13,15H,5,10-11H2,1-2H3,(H,25,26)/t13-,15+/m0/s1.
What are the key properties of 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 407.91 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139344469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).