(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide

C16H21N7O — CID 91800662

IUPAC(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C16H21N7O/c1-9-7-13(19-14-8-11(21-22-14)10-4-5-10)20-16(18-9)23-6-2-3-12(23)15(17)24/h7-8,10,12H,2-6H2,1H3,(H2,17,24)(H2,18,19,20,21,22)/t12-/m0/s1
InChIKeyDIWTWVAPZNCJHQ-LBPRGKRZSA-N
MW327.39 g/mol
LogP1.58
Rot. Bonds5

About (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 91800662) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID91800662
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2C(N)=O)n1
InChIInChI=1S/C16H21N7O/c1-9-7-13(19-14-8-11(21-22-14)10-4-5-10)20-16(18-9)23-6-2-3-12(23)15(17)24/h7-8,10,12H,2-6H2,1H3,(H2,17,24)(H2,18,19,20,21,22)/t12-/m0/s1
InChIKeyDIWTWVAPZNCJHQ-LBPRGKRZSA-N
XLogP1.58
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 91800662) is (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2C(N)=O)n1.
What is the InChIKey of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is DIWTWVAPZNCJHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N7O/c1-9-7-13(19-14-8-11(21-22-14)10-4-5-10)20-16(18-9)23-6-2-3-12(23)15(17)24/h7-8,10,12H,2-6H2,1H3,(H2,17,24)(H2,18,19,20,21,22)/t12-/m0/s1.
What are the key properties of (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91800662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).