N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C21H25N7O2S — CID 175010825

IUPACN-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c(N2CCCCC2)ccnc1C1CNCCO1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C21H25N7O2S/c29-20(15-13-31-21(26-15)14-10-24-25-11-14)27-18-16(28-7-2-1-3-8-28)4-5-23-19(18)17-12-22-6-9-30-17/h4-5,10-11,13,17,22H,1-3,6-9,12H2,(H,24,25)(H,27,29)
InChIKeyKQAODADSEVTCDX-UHFFFAOYSA-N
MW439.55 g/mol
LogP2.83
Rot. Bonds5

About N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 175010825) has the molecular formula C21H25N7O2S and a molecular weight of 439.55 g/mol. Its IUPAC name is N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID175010825
Molecular FormulaC21H25N7O2S
Molecular Weight439.55 g/mol
Exact Mass439.18
IUPAC NameN-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c(N2CCCCC2)ccnc1C1CNCCO1)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C21H25N7O2S/c29-20(15-13-31-21(26-15)14-10-24-25-11-14)27-18-16(28-7-2-1-3-8-28)4-5-23-19(18)17-12-22-6-9-30-17/h4-5,10-11,13,17,22H,1-3,6-9,12H2,(H,24,25)(H,27,29)
InChIKeyKQAODADSEVTCDX-UHFFFAOYSA-N
XLogP2.83
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(1-morpholin-2-yl-2-oxoethyl)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 175437029
N-[4-(2-morpholin-4-ylethylamino)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 137370909
N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 67241056
N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967895
N-(2-formyl-5-morpholin-4-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166778803
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-[5-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylphenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-(5-morpholin-4-yl-2-piperidin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 159960805
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967892
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967832
N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129965

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 175010825) is N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1c(N2CCCCC2)ccnc1C1CNCCO1)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is KQAODADSEVTCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2S/c29-20(15-13-31-21(26-15)14-10-24-25-11-14)27-18-16(28-7-2-1-3-8-28)4-5-23-19(18)17-12-22-6-9-30-17/h4-5,10-11,13,17,22H,1-3,6-9,12H2,(H,24,25)(H,27,29).
What are the key properties of N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 439.55 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-2-yl-4-piperidin-1-yl-3-pyridinyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175010825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).