N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide

C19H22FN7O — CID 164553039

IUPACN-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N[C@H](C)c2cccc(F)n2)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C19H22FN7O/c1-11-12(2)24-18(27-17(11)21-8-7-14-9-22-23-10-14)19(28)25-13(3)15-5-4-6-16(20)26-15/h4-6,9-10,13H,7-8H2,1-3H3,(H,22,23)(H,25,28)(H,21,24,27)/t13-/m1/s1
InChIKeySRWSUJQCRPYJNT-CYBMUJFWSA-N
MW383.43 g/mol
LogP2.50
Rot. Bonds7

About N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide

N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide (PubChem CID 164553039) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
PubChem CID164553039
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC NameN-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N[C@H](C)c2cccc(F)n2)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C19H22FN7O/c1-11-12(2)24-18(27-17(11)21-8-7-14-9-22-23-10-14)19(28)25-13(3)15-5-4-6-16(20)26-15/h4-6,9-10,13H,7-8H2,1-3H3,(H,22,23)(H,25,28)(H,21,24,27)/t13-/m1/s1
InChIKeySRWSUJQCRPYJNT-CYBMUJFWSA-N
XLogP2.50
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 170692811
4,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552930
5-chloro-N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4-methyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164553022
N-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552937
N-[1-(3-fluorophenyl)-2-methylpropan-2-yl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552975
N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552921
[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone;fluorobenzene
CID 164552891
N-[1-(4-fluorophenyl)-2-methoxyethyl]-N,4,5-trimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552889
(4,4-difluoro-2-phenylpiperidin-1-yl)-[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]methanone
CID 164552944
[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-[3-(trifluoromethoxy)azetidin-1-yl]methanone
CID 164552880
[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone
CID 170692829
N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 124753193

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide (CID 164553039) is N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide is Cc1nc(C(=O)N[C@H](C)c2cccc(F)n2)nc(NCCc2cn[nH]c2)c1C.
What is the InChIKey of N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The InChIKey is SRWSUJQCRPYJNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-11-12(2)24-18(27-17(11)21-8-7-14-9-22-23-10-14)19(28)25-13(3)15-5-4-6-16(20)26-15/h4-6,9-10,13H,7-8H2,1-3H3,(H,22,23)(H,25,28)(H,21,24,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-fluoro-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide is sourced from PubChem (CID 164553039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).