1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea

C23H23N7O2 — CID 141218881

IUPAC1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea
SMILESC[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc2[nH]ncc12
InChIInChI=1S/C23H23N7O2/c1-15-14-32-12-11-30(15)22-19-13-24-29-21(19)27-20(28-22)16-7-9-18(10-8-16)26-23(31)25-17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H2,25,26,31)(H,24,27,28,29)/t15-/m1/s1
InChIKeyPVCZYPYRWUKBTH-OAHLLOKOSA-N
MW429.48 g/mol
LogP3.89
Rot. Bonds4

About 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea

1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea (PubChem CID 141218881) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea
PubChem CID141218881
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea
SMILESC[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc2[nH]ncc12
InChIInChI=1S/C23H23N7O2/c1-15-14-32-12-11-30(15)22-19-13-24-29-21(19)27-20(28-22)16-7-9-18(10-8-16)26-23(31)25-17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H2,25,26,31)(H,24,27,28,29)/t15-/m1/s1
InChIKeyPVCZYPYRWUKBTH-OAHLLOKOSA-N
XLogP3.89
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(phenylcarbamoylamino)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
CID 68866377
ethyl 4-[4-[(3R)-3-methylmorpholin-4-yl]-6-[4-(phenylcarbamoylamino)phenyl]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 69269582
1-methyl-3-[4-[4-(2-methylmorpholin-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 141219031
1-[4-[6-methyl-4-(3-methylmorpholin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 66687190
N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide
CID 164610201
1-[4-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]phenyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 66586072
1-cyclopropyl-3-[4-[6,6-dihydroxy-7-methyl-4-(3-methylmorpholin-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 121408558
1-methyl-3-[4-[4-(3-methylmorpholin-4-yl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 78107134
1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 67021648
1-ethyl-3-[4-[4-(3-methylmorpholin-4-yl)-7-(phenylmethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]phenyl]urea
CID 68785341
1-cyclopropyl-3-[4-[5,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 71548515
1-ethyl-3-[4-[6-ethyl-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 46912386

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea (CID 141218881) is 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea is C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc2[nH]ncc12.
What is the InChIKey of 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea?
The InChIKey is PVCZYPYRWUKBTH-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-15-14-32-12-11-30(15)22-19-13-24-29-21(19)27-20(28-22)16-7-9-18(10-8-16)26-23(31)25-17-5-3-2-4-6-17/h2-10,13,15H,11-12,14H2,1H3,(H2,25,26,31)(H,24,27,28,29)/t15-/m1/s1.
What are the key properties of 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea?
1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea has a molecular weight of 429.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea is sourced from PubChem (CID 141218881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).