(2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide

C22H22N8O2 — CID 50909914

IUPAC(2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCO[C@H](C(=O)Nc3ccccc3)C2)n1
InChIInChI=1S/C22H22N8O2/c23-20-15-7-6-13(10-17(15)28-29-20)16-11-19(27-22(24)26-16)30-8-9-32-18(12-30)21(31)25-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9,12H2,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t18-/m0/s1
InChIKeyNCSQDKMOKNQGSG-SFHVURJKSA-N
MW430.47 g/mol
LogP2.03
Rot. Bonds4

About (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide

(2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide (PubChem CID 50909914) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide
PubChem CID50909914
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name(2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide
SMILESNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCO[C@H](C(=O)Nc3ccccc3)C2)n1
InChIInChI=1S/C22H22N8O2/c23-20-15-7-6-13(10-17(15)28-29-20)16-11-19(27-22(24)26-16)30-8-9-32-18(12-30)21(31)25-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9,12H2,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t18-/m0/s1
InChIKeyNCSQDKMOKNQGSG-SFHVURJKSA-N
XLogP2.03
TPSA148.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Gsk-2334470
CID 46215815
6-[2-Amino-6-(Morpholin-4-Yl)pyrimidin-4-Yl]-2h-Indazol-3-Amine
CID 46214653
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
(3s,6r)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-6-Methyl-N-Phenylpiperidine-3-Carboxamide
CID 50909915
Tert-Butyl {(3r,6s)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-6-Methylpiperidin-3-Yl}carbamate
CID 50909916
Tert-Butyl {(3r,5r)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-5-Methylpiperidin-3-Yl}carbamate
CID 50909917
N-{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}-N,3,3-trimethylbutanamide
CID 51354613
1,1-Dimethylethyl{(3R,5R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}methylcarbamate
CID 54581311
1-(3-methyl-4-morpholin-4-ylphenyl)-3-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]urea
CID 132585195
6-[2-Amino-6-(1-piperidinyl)-4-pyrimidinyl]-1H-indazol-3-amine
CID 46214650
(3S,6R)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide
CID 46215816
6-{2-Amino-6-[(3r)-3-ethyl-4-morpholinyl]-4-pyrimidinyl}-1h-indazol-3-amine
CID 46215992

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide (CID 50909914) is (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide is Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCO[C@H](C(=O)Nc3ccccc3)C2)n1.
What is the InChIKey of (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide?
The InChIKey is NCSQDKMOKNQGSG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N8O2/c23-20-15-7-6-13(10-17(15)28-29-20)16-11-19(27-22(24)26-16)30-8-9-32-18(12-30)21(31)25-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9,12H2,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t18-/m0/s1.
What are the key properties of (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide?
(2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 50909914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).