5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide

C23H24ClN7O3S2 — CID 169251096

IUPAC5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NS(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C23H24ClN7O3S2/c1-30(2)13-19(18-10-15(5-7-25-18)29-36(33,34)16-3-4-16)28-22(32)23-26-12-21(35-23)17-11-27-31-8-6-14(24)9-20(17)31/h5-12,16,19H,3-4,13H2,1-2H3,(H,25,29)(H,28,32)/t19-/m0/s1
InChIKeyNDVZNYOHKBBJCV-IBGZPJMESA-N
MW546.08 g/mol
LogP3.44
Rot. Bonds9

About 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 169251096) has the molecular formula C23H24ClN7O3S2 and a molecular weight of 546.08 g/mol. Its IUPAC name is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide
PubChem CID169251096
Molecular FormulaC23H24ClN7O3S2
Molecular Weight546.08 g/mol
Exact Mass545.11
IUPAC Name5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NS(=O)(=O)C2CC2)ccn1
InChIInChI=1S/C23H24ClN7O3S2/c1-30(2)13-19(18-10-15(5-7-25-18)29-36(33,34)16-3-4-16)28-22(32)23-26-12-21(35-23)17-11-27-31-8-6-14(24)9-20(17)31/h5-12,16,19H,3-4,13H2,1-2H3,(H,25,29)(H,28,32)/t19-/m0/s1
InChIKeyNDVZNYOHKBBJCV-IBGZPJMESA-N
XLogP3.44
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.08
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide (CID 169251096) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide is CN(C)C[C@H](NC(=O)c1ncc(-c2cnn3ccc(Cl)cc23)s1)c1cc(NS(=O)(=O)C2CC2)ccn1.
What is the InChIKey of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is NDVZNYOHKBBJCV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24ClN7O3S2/c1-30(2)13-19(18-10-15(5-7-25-18)29-36(33,34)16-3-4-16)28-22(32)23-26-12-21(35-23)17-11-27-31-8-6-14(24)9-20(17)31/h5-12,16,19H,3-4,13H2,1-2H3,(H,25,29)(H,28,32)/t19-/m0/s1.
What are the key properties of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide?
5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 546.08 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(dimethylamino)ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).