(2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide

C18H16FN7O — CID 56886142

IUPAC(2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide
SMILESNC(=O)[C@H](Cc1cnc[nH]1)Nc1cc(-c2ccccc2F)nc2ccnn12
InChIInChI=1S/C18H16FN7O/c19-13-4-2-1-3-12(13)14-8-17(26-16(24-14)5-6-23-26)25-15(18(20)27)7-11-9-21-10-22-11/h1-6,8-10,15,25H,7H2,(H2,20,27)(H,21,22)/t15-/m0/s1
InChIKeyDHQWKJUNJBJJHD-HNNXBMFYSA-N
MW365.37 g/mol
LogP1.77
Rot. Bonds6

About (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide

(2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 56886142) has the molecular formula C18H16FN7O and a molecular weight of 365.37 g/mol. Its IUPAC name is (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide
PubChem CID56886142
Molecular FormulaC18H16FN7O
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name(2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide
SMILESNC(=O)[C@H](Cc1cnc[nH]1)Nc1cc(-c2ccccc2F)nc2ccnn12
InChIInChI=1S/C18H16FN7O/c19-13-4-2-1-3-12(13)14-8-17(26-16(24-14)5-6-23-26)25-15(18(20)27)7-11-9-21-10-22-11/h1-6,8-10,15,25H,7H2,(H2,20,27)(H,21,22)/t15-/m0/s1
InChIKeyDHQWKJUNJBJJHD-HNNXBMFYSA-N
XLogP1.77
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[[5-[(4-tert-butylbenzoyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 67064589
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56902858
5-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889061
5-(2-fluorophenyl)-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56909518
(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide
CID 92523863
N-[(1,1-dioxothiolan-3-yl)methyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890807
5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56904649
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135138235
5-(2-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56887594
5-(2-fluorophenyl)-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 154893939
2-[[2-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-benzylamino]acetic acid
CID 67430533
(4S)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 95871596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide (CID 56886142) is (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide is NC(=O)[C@H](Cc1cnc[nH]1)Nc1cc(-c2ccccc2F)nc2ccnn12.
What is the InChIKey of (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is DHQWKJUNJBJJHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FN7O/c19-13-4-2-1-3-12(13)14-8-17(26-16(24-14)5-6-23-26)25-15(18(20)27)7-11-9-21-10-22-11/h1-6,8-10,15,25H,7H2,(H2,20,27)(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide?
(2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 365.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 56886142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).