5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide

C14H12F2N6O — CID 167914687

IUPAC5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide
SMILESCC(F)(F)c1ccnc(Nc2ccc3[nH]nc(C(N)=O)c3c2)n1
InChIInChI=1S/C14H12F2N6O/c1-14(15,16)10-4-5-18-13(20-10)19-7-2-3-9-8(6-7)11(12(17)23)22-21-9/h2-6H,1H3,(H2,17,23)(H,21,22)(H,18,19,20)
InChIKeyCGPSKGCTPKTWCG-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.31
Rot. Bonds4

About 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide

5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide (PubChem CID 167914687) has the molecular formula C14H12F2N6O and a molecular weight of 318.29 g/mol. Its IUPAC name is 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide
PubChem CID167914687
Molecular FormulaC14H12F2N6O
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC Name5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide
SMILESCC(F)(F)c1ccnc(Nc2ccc3[nH]nc(C(N)=O)c3c2)n1
InChIInChI=1S/C14H12F2N6O/c1-14(15,16)10-4-5-18-13(20-10)19-7-2-3-9-8(6-7)11(12(17)23)22-21-9/h2-6H,1H3,(H2,17,23)(H,21,22)(H,18,19,20)
InChIKeyCGPSKGCTPKTWCG-UHFFFAOYSA-N
XLogP2.31
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide
CID 146123273
N-[4-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166358351
5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide
CID 133406968
5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N,N-dimethyl-1H-indazole-3-carboxamide
CID 90004967
(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 129010764
5-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1H-indazole-3-carboxamide
CID 133406988
[5-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-1H-indazol-3-yl]-morpholin-4-ylmethanone
CID 90002224
2-N-(3,4-dimethoxyphenyl)-4-N-(4-fluoro-1H-indazol-3-yl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 71224722
4-N-(5-fluoro-1H-indazol-3-yl)-4-N-methyl-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 71224752
5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 71233777
4-(1,1-difluoroethyl)-N-methylpyrimidin-2-amine
CID 178103545

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide (CID 167914687) is 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide is CC(F)(F)c1ccnc(Nc2ccc3[nH]nc(C(N)=O)c3c2)n1.
What is the InChIKey of 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide?
The InChIKey is CGPSKGCTPKTWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6O/c1-14(15,16)10-4-5-18-13(20-10)19-7-2-3-9-8(6-7)11(12(17)23)22-21-9/h2-6H,1H3,(H2,17,23)(H,21,22)(H,18,19,20).
What are the key properties of 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide?
5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-1H-indazole-3-carboxamide is sourced from PubChem (CID 167914687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).