6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine

C18H19N5O2 — CID 146421064

IUPAC6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine
SMILESCc1nc(N)ccc1Oc1ccnc(-c2cnn([C@H]3CCOC3)c2)c1
InChIInChI=1S/C18H19N5O2/c1-12-17(2-3-18(19)22-12)25-15-4-6-20-16(8-15)13-9-21-23(10-13)14-5-7-24-11-14/h2-4,6,8-10,14H,5,7,11H2,1H3,(H2,19,22)/t14-/m0/s1
InChIKeyMMTVNVLCTTZJTL-AWEZNQCLSA-N
MW337.38 g/mol
LogP2.98
Rot. Bonds4

About 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine

6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine (PubChem CID 146421064) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine
PubChem CID146421064
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine
SMILESCc1nc(N)ccc1Oc1ccnc(-c2cnn([C@H]3CCOC3)c2)c1
InChIInChI=1S/C18H19N5O2/c1-12-17(2-3-18(19)22-12)25-15-4-6-20-16(8-15)13-9-21-23(10-13)14-5-7-24-11-14/h2-4,6,8-10,14H,5,7,11H2,1H3,(H2,19,22)/t14-/m0/s1
InChIKeyMMTVNVLCTTZJTL-AWEZNQCLSA-N
XLogP2.98
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine?
The IUPAC name of 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine (CID 146421064) is 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine is Cc1nc(N)ccc1Oc1ccnc(-c2cnn([C@H]3CCOC3)c2)c1.
What is the InChIKey of 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine?
The InChIKey is MMTVNVLCTTZJTL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-17(2-3-18(19)22-12)25-15-4-6-20-16(8-15)13-9-21-23(10-13)14-5-7-24-11-14/h2-4,6,8-10,14H,5,7,11H2,1H3,(H2,19,22)/t14-/m0/s1.
What are the key properties of 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine?
6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine has a molecular weight of 337.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[2-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyridinyl]oxy]pyridin-2-amine is sourced from PubChem (CID 146421064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).