N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine

C16H16F3N7O — CID 166596229

IUPACN-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2cnn([C@H]3CCn4ccnc43)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H16F3N7O/c1-9-11(8-22-26(9)12-3-5-25-6-4-20-13(12)25)23-15-21-7-10(16(17,18)19)14(24-15)27-2/h4,6-8,12H,3,5H2,1-2H3,(H,21,23,24)/t12-/m0/s1
InChIKeyCXWKIVRKCQHGDS-LBPRGKRZSA-N
MW379.35 g/mol
LogP2.94
Rot. Bonds4

About N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine

N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 166596229) has the molecular formula C16H16F3N7O and a molecular weight of 379.35 g/mol. Its IUPAC name is N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID166596229
Molecular FormulaC16H16F3N7O
Molecular Weight379.35 g/mol
Exact Mass379.14
IUPAC NameN-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2cnn([C@H]3CCn4ccnc43)c2C)ncc1C(F)(F)F
InChIInChI=1S/C16H16F3N7O/c1-9-11(8-22-26(9)12-3-5-25-6-4-20-13(12)25)23-15-21-7-10(16(17,18)19)14(24-15)27-2/h4,6-8,12H,3,5H2,1-2H3,(H,21,23,24)/t12-/m0/s1
InChIKeyCXWKIVRKCQHGDS-LBPRGKRZSA-N
XLogP2.94
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 69085770
2-N-[3-chloro-1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943343
2-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 145419887
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
4-N-methyl-2-N-[5-methyl-1-[(1R,3R)-3-(triazol-2-yl)cyclopentyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943577
4-N-ethyl-2-N-[5-methyl-1-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-6-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 166596514
4-N-ethyl-2-N-[5-methyl-1-[(2R)-2-methylcyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 146606154
2-[[2-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 175129143
4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 135374556
4-N-methyl-2-N-[5-methyl-1-(3-methylsulfonylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 135374320
cis-(1R,2S)-2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylcyclopropane-1-carbonitrile
CID 164962715
(2S)-2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]cyclopropane-1-carbonitrile
CID 146606155

Frequently Asked Questions

What is the IUPAC name of N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine (CID 166596229) is N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine is COc1nc(Nc2cnn([C@H]3CCn4ccnc43)c2C)ncc1C(F)(F)F.
What is the InChIKey of N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CXWKIVRKCQHGDS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16F3N7O/c1-9-11(8-22-26(9)12-3-5-25-6-4-20-13(12)25)23-15-21-7-10(16(17,18)19)14(24-15)27-2/h4,6-8,12H,3,5H2,1-2H3,(H,21,23,24)/t12-/m0/s1.
What are the key properties of N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 379.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-5-methylpyrazol-4-yl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 166596229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).