[3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone

C18H19N5O3 — CID 122490550

IUPAC[3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc2cc[nH]c2n1
InChIInChI=1S/C18H19N5O3/c1-25-15-10-12(17(24)23-6-8-26-9-7-23)2-3-14(15)21-18-20-11-13-4-5-19-16(13)22-18/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22)
InChIKeyTYFPZCSCGZGUAO-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.18
Rot. Bonds4

About [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone

[3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone (PubChem CID 122490550) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone
PubChem CID122490550
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name[3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc2cc[nH]c2n1
InChIInChI=1S/C18H19N5O3/c1-25-15-10-12(17(24)23-6-8-26-9-7-23)2-3-14(15)21-18-20-11-13-4-5-19-16(13)22-18/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22)
InChIKeyTYFPZCSCGZGUAO-UHFFFAOYSA-N
XLogP2.18
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 25182616
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CID 58539301
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CID 112499966
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CID 25113170
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CID 25211575
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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone (CID 122490550) is [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone is COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc2cc[nH]c2n1.
What is the InChIKey of [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone?
The InChIKey is TYFPZCSCGZGUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-15-10-12(17(24)23-6-8-26-9-7-23)2-3-14(15)21-18-20-11-13-4-5-19-16(13)22-18/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22).
What are the key properties of [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone?
[3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone has a molecular weight of 353.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 122490550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).