[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone

C24H24N6O3 — CID 71233736

IUPAC[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C24H24N6O3/c1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30/h2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29)
InChIKeySKJFTXLEVLUHSM-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.38
Rot. Bonds6

About [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone

[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone (PubChem CID 71233736) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
PubChem CID71233736
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C24H24N6O3/c1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30/h2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29)
InChIKeySKJFTXLEVLUHSM-UHFFFAOYSA-N
XLogP3.38
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone (CID 71233736) is [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone is COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1.
What is the InChIKey of [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SKJFTXLEVLUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30/h2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29).
What are the key properties of [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?
[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 444.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71233736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).