[(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

C24H30N10O2 — CID 118436482

IUPAC[(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1
InChIInChI=1S/C24H30N10O2/c1-15-18(13-28-31-15)21(35)33-6-4-24(2,14-33)34-5-3-17-19(16-11-26-22(25)27-12-16)29-23(30-20(17)34)32-7-9-36-10-8-32/h11-13H,3-10,14H2,1-2H3,(H,28,31)(H2,25,26,27)/t24-/m0/s1
InChIKeyPFQSTUFFPBCENX-DEOSSOPVSA-N
MW490.57 g/mol
LogP1.05
Rot. Bonds4

About [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

[(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 118436482) has the molecular formula C24H30N10O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID118436482
Molecular FormulaC24H30N10O2
Molecular Weight490.57 g/mol
Exact Mass490.26
IUPAC Name[(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1
InChIInChI=1S/C24H30N10O2/c1-15-18(13-28-31-15)21(35)33-6-4-24(2,14-33)34-5-3-17-19(16-11-26-22(25)27-12-16)29-23(30-20(17)34)32-7-9-36-10-8-32/h11-13H,3-10,14H2,1-2H3,(H,28,31)(H2,25,26,27)/t24-/m0/s1
InChIKeyPFQSTUFFPBCENX-DEOSSOPVSA-N
XLogP1.05
TPSA142.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (CID 118436482) is [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CC[C@](C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1.
What is the InChIKey of [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is PFQSTUFFPBCENX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30N10O2/c1-15-18(13-28-31-15)21(35)33-6-4-24(2,14-33)34-5-3-17-19(16-11-26-22(25)27-12-16)29-23(30-20(17)34)32-7-9-36-10-8-32/h11-13H,3-10,14H2,1-2H3,(H,28,31)(H2,25,26,27)/t24-/m0/s1.
What are the key properties of [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 490.57 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 118436482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).