N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C22H27N7O2 — CID 165129746

IUPACN-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2cccc(-c3cnn(C)c3)n2)cc(N2CC[C@@H](C(C)(C)O)C2)n1
InChIInChI=1S/C22H27N7O2/c1-14-24-19(10-20(25-14)29-9-8-16(13-29)22(2,3)31)27-21(30)18-7-5-6-17(26-18)15-11-23-28(4)12-15/h5-7,10-12,16,31H,8-9,13H2,1-4H3,(H,24,25,27,30)/t16-/m1/s1
InChIKeyUPSNQHGCEYRORJ-MRXNPFEDSA-N
MW421.51 g/mol
LogP2.43
Rot. Bonds5

About N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 165129746) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID165129746
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2cccc(-c3cnn(C)c3)n2)cc(N2CC[C@@H](C(C)(C)O)C2)n1
InChIInChI=1S/C22H27N7O2/c1-14-24-19(10-20(25-14)29-9-8-16(13-29)22(2,3)31)27-21(30)18-7-5-6-17(26-18)15-11-23-28(4)12-15/h5-7,10-12,16,31H,8-9,13H2,1-4H3,(H,24,25,27,30)/t16-/m1/s1
InChIKeyUPSNQHGCEYRORJ-MRXNPFEDSA-N
XLogP2.43
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548277
6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 58548370
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
(3S)-2-(2-methoxyethyl)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604219
7-[5-Methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604256
(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 122604287
(3S)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604354
N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129691
6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 165129719
N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129816
N-[5-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)-3-pyridinyl]-6-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 165129858
N-[4-[(7R)-4-oxo-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 157049302

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 165129746) is N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cc1nc(NC(=O)c2cccc(-c3cnn(C)c3)n2)cc(N2CC[C@@H](C(C)(C)O)C2)n1.
What is the InChIKey of N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is UPSNQHGCEYRORJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14-24-19(10-20(25-14)29-9-8-16(13-29)22(2,3)31)27-21(30)18-7-5-6-17(26-18)15-11-23-28(4)12-15/h5-7,10-12,16,31H,8-9,13H2,1-4H3,(H,24,25,27,30)/t16-/m1/s1.
What are the key properties of N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 165129746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).