N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide

C19H22FN7O — CID 164552921

IUPACN-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)NCCc2ccncc2F)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C19H22FN7O/c1-12-13(2)26-18(27-17(12)22-7-3-14-9-24-25-10-14)19(28)23-8-5-15-4-6-21-11-16(15)20/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,23,28)(H,24,25)(H,22,26,27)
InChIKeyJIHIPDAKAOGANQ-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.98
Rot. Bonds8

About N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide

N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide (PubChem CID 164552921) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
PubChem CID164552921
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC NameN-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)NCCc2ccncc2F)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C19H22FN7O/c1-12-13(2)26-18(27-17(12)22-7-3-14-9-24-25-10-14)19(28)23-8-5-15-4-6-21-11-16(15)20/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,23,28)(H,24,25)(H,22,26,27)
InChIKeyJIHIPDAKAOGANQ-UHFFFAOYSA-N
XLogP1.98
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide (CID 164552921) is N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide is Cc1nc(C(=O)NCCc2ccncc2F)nc(NCCc2cn[nH]c2)c1C.
What is the InChIKey of N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
The InChIKey is JIHIPDAKAOGANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-12-13(2)26-18(27-17(12)22-7-3-14-9-24-25-10-14)19(28)23-8-5-15-4-6-21-11-16(15)20/h4,6,9-11H,3,5,7-8H2,1-2H3,(H,23,28)(H,24,25)(H,22,26,27).
What are the key properties of N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide?
N-[2-(3-fluoro-4-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 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide is sourced from PubChem (CID 164552921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).